Chemical Properties of Dinaphtho[1,2,3-fg!3',2',1'-qr]pentacene (CAS 128720-98-9)

InChI

InChI=1S/C36H20/c1-5-13-25-21(9-1)17-30-31-19-23-11-2-6-14-26(23)33-27-15-7-4-12-24(27)20-32(36(31)33)34-28-16-8-3-10-22(28)18-29(25)35(30)34/h1-20H

InChI Key

LKZJAHUGJPUPEG-UHFFFAOYSA-N

Formula

C36H20

SMILES

c1ccc2c(c1)cc1c3cc4ccccc4c4c5ccccc5cc(c5c6ccccc6cc2c15)c34

Molecular Weight¹

452.54

CAS

128720-98-9

Other Names

• Dinaphtho[1,2,3-fg:3',2',1'-qr]pentacene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[418.05; 1038.27]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.12730e+02
Coefficient B			2.97400e+00
Coefficient C			-2.69580e-03
Coefficient D			9.72800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	418.05	J/mol×K	273.00	Calculated Property
Cp,gas	545.08	J/mol×K	353.78	Calculated Property
Cp,gas	650.40	J/mol×K	434.56	Calculated Property
Cp,gas	737.09	J/mol×K	515.33	Calculated Property
Cp,gas	808.22	J/mol×K	596.11	Calculated Property
Cp,gas	866.88	J/mol×K	676.89	Calculated Property
Cp,gas	916.14	J/mol×K	757.67	Calculated Property
Cp,gas	959.07	J/mol×K	838.44	Calculated Property
Cp,gas	998.76	J/mol×K	919.22	Calculated Property
Cp,gas	1038.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0228438; 0.0200111]	Pa×s	[877.42; 1063.69]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-4.53509e+00
Coefficient B			6.63340e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			877.42
Temperature range, max.			1063.69
η	0.0228438	Pa×s	877.42	Calculated Property
η	0.0224492	Pa×s	898.12	Calculated Property
η	0.0220788	Pa×s	918.81	Calculated Property
η	0.0217305	Pa×s	939.51	Calculated Property
η	0.0214023	Pa×s	960.21	Calculated Property
η	0.0210926	Pa×s	980.90	Calculated Property
η	0.0207999	Pa×s	1001.60	Calculated Property
η	0.0205228	Pa×s	1022.30	Calculated Property
η	0.0202603	Pa×s	1043.00	Calculated Property
η	0.0200111	Pa×s	1063.69	Calculated Property

Similar Compounds

Find more compounds similar to Dinaphtho[1,2,3-fg!3',2',1'-qr]pentacene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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